Glycoside
GD037421
Name:
NoneFormula:
C24H31O11N3SSmiles:
COc1cc(CC=NNC(N)=S)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COc1cc(CC=NNC(N)=S)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 569.59 | Num_heavy_atoms: | 39 |
| TPSA: | 183.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD23577
Formula: C10H13O2N3S
Smiles:
COc1cc(CC=NNC(N)=S)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 239.3 | Num_heavy_atoms: | 16 |
| TPSA: | 79.87 | NumAromaticRings: | 1 |
